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SSRN 2022年

作者： Wu, Yingxiao Cheng, Jinqian Liang, Zibin Qiu, Tianjie Tang, Yanqun Shi, Jinming Gao, Song Zhong, Ruiqin Zou, Ruqiang Beijing Key Lab of Theory and Technology for Advanced Battery Materials School of Materials Science and Engineering Peking University Beijing100871 China State Key Laboratory of Heavy Oil Processing China University of Petroleum Beijing102249 China Institute of Clean Energy Peking University Beijing100871 China

Metal-organic frameworks (MOFs) derived carbon nanomaterials are arising as promising anode materials for sodium-ion batteries. However, the heteroatoms loss and aggregation during pyrolysis significantly hamper its further application. Herein, we utilized electrospinning structuring energetic MOF into nanofibers, followed by one-step sulfurization. The high content N doping (24.58 wt%) and CoS nanoparticles encapsulated carbon nanofibers with ultra-large interlayer distance (0.422 nm) were synthesized, which improved the diffusion properties and phase behavior of sodium ions. The resulting CoS/NSCNF (NSCNF for nitrogen and sulfur co-doped carbon nanofibers) delivered superior rate performance of 358.5 mAh g-1 after 2250 cycles at 6 A g-1 , serving as anode for sodium-ion battery. The excellent storage performance ascribed to abundant N/S defects, enlarged carbon spacing, and the continuous one-dimensional structure of CoS/NSCNF, enhancing sodium ions storage ability contrasted with MOF-derived carbon. The density functional theory calculations further demonstrate that nitrogen-doping favors sodium ion adsorption ability of CoS/NSCNF, thereby improving storage performance. © 2022, The Authors. All rights reserved.

关键词： Metal ions

MoSe2 nanosheets as a functional host for lithium-sulfur batteries

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能源化学 2020年第8期47卷 241-247页

作者： Lishun Meng Yuan Yao Jing Liu Zhao Wang Dong Qian Liuchun Zheng Bao-Lian Su Hong-En Wang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China Beijing National Laboratory of Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China Hunan Provincial Key Laboratory of Chemical Power Resources College of Chemistry and Chemical Engineering Central South University Changsha 410083 Hunan China Institute of Chemistry Chinese Academy of Sciences Beijing 100190 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China Laboratory of Inorganic Materials Chemistry (CMI) University of Namur 61 rue de Bruxelles B-5000 Namur Belgium State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China College of Physics and Electronics Information Yunnan Normal University Kunming 650500 Yunnan China

Lithium-sulfur batteries (LSBs) hold great potential for large-scale electrochemical energy storage ***,the shuttle of soluble lithium polysulfide (LiPSs) intermediates with sluggish conversion kinetics and random deposition of Li2S have severely degraded the capacity,rate and cycling performances of LSBs,preventing their practical *** this work,ultrathin MoSe2 nanosheets with active edge sites were successfully grown on both internal and external surfaces of hollow carbon spheres with mesoporous walls (MCHS).The resulting MoSe2@MCHS composite acted as a novel functional reservoir for LiPSs with high chemical affinity and effectively mediated their fast redox conversion during charge/discharge as elucidated by experimental observations and first-principles density functional theory (DFT) *** as-fabricated Li-S cells delivered high capacity,superior rate and excellent *** current work presents new insights on the delicate design and fabrication of novel functional composite electrode materials for rechargeable batteries with emerging applications.

关键词： MoSe2 Cathode host Lithium-sulfur batteries Shuttle effect Electrochemistry Density functional theory

Oxygen vacancies boosting ultra-stability of mesoporous ZnO-CoO@N-doped carbon microspheres for asymmetric supercapacitors

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Science China materials 2020年第10期63卷 2013-2027页

作者： Di Yao Fulei Wang Wu Lei Yan Hua Xifeng Xia Jinping Liu Qingli Hao Key Laboratory for Soft Chemistry and Functional Materials Ministry of EducationSchool of Chemical EngineeringNanjing University of Science and TechnologyNanjing 210094China Chemical Engineering and Life Science and State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Long-term cycling stability of pseudocapacitive materials is pursued for high-energy ***,the mesoporous zinc-cobalt oxide heterostructure@nitrogendoped carbon(ZnO-CoO@NC)microspheres with abundant oxygen vacancies are self-assembled through a hydrothermal method combined with an annealing *** multifunctional polyvinyl pyrrolidone(PVP)is used as a structure-directing agent,the precursor of NC and the initiator of abundant oxygen vacancies in zinc-cobalt oxide *** demonstrates the generation of surface oxygen vacancies resulted from the reduction effect of conductive NC,and further confirms the weaker interaction between the metal ions and oxygen *** a result,the electrode based on ZnO-CoO@NC in 2 mol L^-1 KOH shows enhanced capacitive performance with an excellent cycle stability of 92%retention of the initial capacitance after 40,000 charge-discharge cycles at 2 A g^-1,keeping the morphology *** assembled asymmetric supercapacitor,graphene//ZnO-CoO@NC,also performs good cyclic stability with 94%capacitance retention after 10,000 cycles at 2 A g^-*** remarkable electrochemical performance of the self-assembled ZnO-CoO@NC composite is attributed to the mesoporous architecture,abundant oxygen vacancies,conductive ZnO scaffold for CoO crystals forming heterostructure of ZnO-CoO and the high conductive NC layer covering outside of the multi-metal oxide ***,the ZnO-CoO@NC holds great promise for high-performance energy storage applications.

关键词： supercapacitor zinc oxide cobaltous oxide doped carbon cycling stability heterostructure

Frustration-controlled quantum phase transition between multiple singular two-stage Kondo behaviors in a tetrahedral quadruple quantum dot structure

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Physical Review B 2022年第7期105卷 075430-075430页

作者： Peng-Chao Wang Yi-Hui Wang Chong Chen Jun Zhang Wei Li Nan Nan Jia-Ning Wang Jun-Tao Yang Amel Laref Yong-Chen Xiong School of Mathematics Physics and Optoelectronic Engineering and Collaborative Innovation Center for Optoelectronic Technology Hubei University of Automotive Technology Shiyan 442002 People's Republic of China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 People's Republic of China Department of Physics and Astronomy Science Faculty King Saud University Riyadh 11451 Saudi Arabia Shiyan Bureau of Science and Technology 16 Chaoyang North Road Shiyan 442000 People's Republic of China

Semiconductor quantum dots are considered to be promising candidates for the hardware of quantum information technology and optoelectronic devices. Herein, motivated by a tetrahedrally shaped colloidal quadruple quantum dot structure made from In-based III–V semiconductors, which has been synthesized very recently by Leemans et al. [J. Am. Chem. Soc., 143, 4290 (2021)], we provide timely insight into the electronic transport and the quantum phase transition (QPT) for such an architecture. When the interdot hopping between different side dots (t2) is absent, a singular two-stage Kondo effect is revealed for small central-side coupling t1. The two screening processes are separated by an energy scale of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction, and the fitting parameters deviate from the regular ones of the side-coupled double dot system. The RKKY interaction and temperature are well illustrated by functions of t14/(UTK12), where U and TK1 are the on-site electron-electron repulsion and the first Kondo temperature, respectively. When t2 turns on, the ground state of the side dots transits from a spin quadruplet to a magnetic frustration phase, and then to a singlet, through two first-order QPTs. In the frustration phase, another new two-stage Kondo effect is demonstrated, which includes the process of screening the local spin on the central dot firstly, and then that on the neighborless side dot is screened at a lower temperature. Both the Kondo temperatures are found to be rather sensitive to t2. When t2 is large enough, the reappearance of the regular Kondo effect is found. With fixed t2=0, charging the central dot triggers a transition from an antiferromagnetic correlation among the side dots to a ferromagnetic one, accompanied by a Kondo behavior in the central dot. We adopt the state-of-the-art numerical renormalization group method to implement the above behaviors, combined with analytical arguments.

关键词： Kondo effect Quantum phase transitions Quantum transport

Synergistic Strategy of Rubidium Chloride Regulated Sno2and 4-Tert-Butyl-Benzylammonium Iodide Passivated Maxfa1-Xpbi3 for Efficient Mixed-Cation Perovskite Solar Cells

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SSRN 2023年

作者： Sun, Jia Gu, Yinsheng Lu, Yingwei Hu, Juntao Chen, Tao Zhu, Changfei Luo, Paifeng School of Materials Science and Engineering Hefei University of Technology Anhui Hefei230009 China Engineering Research Center of High Performance Copper Alloy Materials and Processing Ministry of Education Hefei University of Technology Hefei230009 China National Engineering Lab of Special Display Technology State Key Lab of Advanced Display Technology Academy of Opto-Electronic Technology Hefei University of Technology Hefei230009 China Hefei National Laboratory for Physical Sciences at Microscale CAS Key Laboratory of Materials for Energy Conversion Department of Materials Science and Engineering University of Science and Technology of China Anhui Province Hefei230026 China Institute of Energy Hefei Comprehensive National Science Center Hefei China

Nowadays, the MA-FA mixed-cation perovskite solar cells (PSCs), demonstrating much higher stability than that of single-cation MAPbI3 or FAPbI3, are still encountering a low-efficiency issue. The main reason is that there existing a lot of defects in SnO2 electron transport layers (ETLs) and perovskite absorbers. Herein, we develop a synergistic strategy of Rubidium Chloride (RbCl) doping and 4-tert-butylbenzylammonium iodide (tBBAI) passivation to fabricate high-performance MAxFA1-xPbI3 mixed-cation PSCs. The alkali halide RbCl is first selected as a novel doping additive to regulate the film properties of SnO2 and perovskites. Research shows that the negative Cl- ions can combine with uncoordinated Sn4+ ions due to their strong bonding ability, which can passivate the oxygen-vacancy-related defects and enhance the charge transport of SnO2 ETLs. Meanwhile, the doped Rb+ and Cl- ions may diffuse into perovskite lattices to promote grain growth and reduce the defects of perovskites. Besides, we employ an organic halide salt tBBAI to passivate perovskites and suppress surface defects. Results of deep level transient spectroscopy (DLTS) indicate that SnO2 and SnO2-RbCl based devices have deeper hole traps and large trap densities (ΔE=0.92 eV, NT=1.10×1016 cm-3;ΔE=0.93 eV, NT=2.16×1015 cm-3);while tBBAI-treated SnO2-RbCl-based devices own a shallower hole trap and a smaller trap density (ΔE=0.72 eV, NT=2.44×1013 cm-3);and the corresponding IPb and I(MA/FA) antisite defeats are also identified. Therefore, our synergistic strategy is effectively able to reduce the defect density and suppress the non-radiative recombination. Consequently, the best-performance MA0.85FA0.15PbI3 PSCs achieve an impressive power conversion efficiency (PCE) of 22.54% with a large open circuit voltage (Voc) of 1.16 V, which are by far the highest values of MA0.85FA0.15PbI3 mixed-cation PSCs. © 2023, The Authors. All rights reserved.

关键词： Perovskite solar cells

One-Step Anti-Solvent Associated Method for High Performance Two-Dimensional Perovskite Photodetectors Fabrication at Low Temperature

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SSRN 2022年

作者： Yue, Yunfan Li, Ming-Yu Li, Hao Chai, Nianyao Dong, Yifan Li, Zeping Chen, Xiangyu Wang, Xuewen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China Foshan Xianhu Laboratory The Advanced Energy Science and Technology Guangdong Laboratory Foshan528216 China School of Science Wuhan University of Technology Hubei Wuhan430070 China Engineering Research Center of Nano-Geomaterials Ministry of Education Faculty of Material Science and Chemistry China University of Geosciences Wuhan430074 China

The two-dimensional (2D) organic-inorganic perovskite of unique optical properties and improved stability holds great potential in high-performance perovskite optoelectronic applications. However, a huge challenge to manufacture continuous thin films at large scale and low cost is still unresolved. Here, a facile method to fabricate high quality (PEA) 2 PbI 4 thin films at low temperature in the air condition by one-step anti-solvent associated method was firstly proposed. The mechanism of nucleation sites formation and grain growth rates governed by the polarity and saturated vapor pressure of anti-solvents and annealing temperature was disclosed. By comparing different anti-solvents at various annealing temperatures, high quality thin films with the lowest annealing temperature of 80 °C were achieved by using toluene. A simple planar photodetector was configured, with the Responsivity (R s ) and Detectivity (D*) of 752 μA/W and 2.76×10 8 Jones with active area of 150 μm × 8000 μm, respectively, and the stability keeping 92% after 90 cycles under continuous light illumination in the air. This method offers a simple and low cost approach for manufacturing high quality 2D perovskite films and high-performance photodetectors at low temperature for industrial applications. © 2022, The Authors. All rights reserved.

关键词： Perovskite

High Energy Nitrogen Ion-Beam Implantation Induced Nucleation and Crystalline Growth in Amorphous Carbon Nitride Films

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SSRN 2023年

作者： Liu, Dong-Guang Zhou, Si-Wei Zou, Jin-Xin Zhang, Peng Liang, Yan Hong, Chunfu Anhui Province Key Lab of Aerospace Structural Parts Forming Technology and Equipment Hefei University of Technology Hefei230009 China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences Lanzhou730000 China Institute of Industry and Equipment Technology Hefei University of Technology Hefei230009 China State Key Laboratory of Tribology Tsinghua University Beijing100084 China School of Materials Science and Engineering Hefei University of Technology Hefei230009 China Hospital of Hefei University of Technology Hefei University of Technology Hefei230009 China Fujian Provincial Key Laboratory of Advanced Materials Processing and Application Fujian University of Technology Fuzhou350118 China

High-energy N+ injection-induced crystallization in amorphous carbon nitride (a-CN) films were observed by injecting different N+ energies. The results of the study indicated that during the initial N+ implantation, a number of nano-clusters with the size of 2-5 nm were formed and accompanied by the appearance of crystalline particles. Most of the nanocrystalline grains have the same crystallographic orientation, and the lattice parameters of these crystalline phases are very consistent with those of the graphite like carbon nitride (g-C3N4). Raman spectrum and XPS analysis also support the presence of sp2 hybridized C-N bond in N+ implanted C-N films. The Crystallization behavior and crystallization rate of the films are closely related to the N+ energy, and the mechanism and model of N+ irradiation-induced crystallization are discussed. High N+ implantation can provide high bombardment ions and high temperatures, which are the key to the structural evolution of the deposited C-N thin films. When the implanted energy is 15 keV, there is no enough energy to crystallize the grains, resulting in the local disorder during growth process. With the increase of the N+ energy (60 keV), high energy N+ alleviates the disordered state in a-matrix, arousing atomic rearrangement and the aggregation of sp2 phase. At the same time, high energy N+ bring about high temperature that cause growth formation of the nc g-C3N4. © 2023, The Authors. All rights reserved.

关键词： Crystallization

Mechanical Properties of Al_(2)O_(3)/FeCo Interface under Magnetic Field:A Molecular Dynamics Study

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Chinese Journal of Chemical Physics 2025年第3期38卷 323-333,I0037-I0047,I0109页

作者： Chun Wang Haijun Su Xi Li Wei Ren Yongle Li Department of Physics International Centre for Quantum and Molecular StructuresShanghai Key Laboratory of High Temperature Superconductorsand Institute for Quantum Science and TechnologyShanghai UniversityShanghai 200444China State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Shanghai Key Lab of Advanced High-temperature Materials and Precision Forming Shanghai Jiao Tong UniversityShanghai 200240China Department of Physics International Center of Quantum and Molecular StructuresInstitute for Quantum Science and Technologyand Shanghai Key Laboratory of High Temperature SuperconductorsShanghai UniversityShanghai 200444China

Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion ***_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications such as catalysts,mi-crowave absorption materials,and enhanced permeability *** understanding of the mechani-cal properties and dynamics at the atomic scale of the Al_(2)O_(3)/FeCo in-terface can promote the design and exploitment of metal-ceramic *** this work,we have obtained Young’s modulus and diffusion coefficient of the Al_(2)O_(3)/FeCo interface using molecular dynamics simulation,elucidated the structural characteristics of the Al_(2)O_(3)/FeCo interface at the atomic scale,and investigated the impact of atomic magnetism and the exter-nal magnetic field on the *** results show that Young’s modulus of the Al_(2)O_(3)/FeCo interface is significantly improved compared with pure Al_(2)O_(3)and FeCo alloy at room and high *** the atomic magnetism and the external magnetic field are applied,Young’s modulus of the Al_(2)O_(3)/FeCo interface further increases to 612 GPa at 300 K and 602 GPa at 500 ***,the average density,diffusion coefficient,and radial distri-bution function are found to be modified *** study will shed light on the atom-istic investigations of the metal-ceramic composites.

关键词： Molecular dynamics Al_(2)O_(3)/FeCo interface Young’s modulus Magnetism Magnetic field Diffusion coefficient

Terahertz ultra-wideband metamaterial absorber based on superposition optimization

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materials Research Bulletin 2025年 192卷

作者： Zhang, Yuqiang Deng, Xin-Hua Geng, Jiaqi Xiong, Zhipeng Hu, Ping School of Physics and Materials Science Nanchang University Nanchang330031 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Chongqing Research Institute of Nanchang University Nanchang330031 China

This paper presents a novel absorber with multiple absorbers assembled into a single unit by patterned composite superposition and embedded stacking. The absorber proposed in this paper can realize high absorption of electromagnetic waves in the range of 1.96 THz-11.85 THz with a relative absorption bandwidth of 143.2 %. Functionally, these absorbers exhibit ultra-broadband absorption, polarization insensitivity, and dynamic tunability, and maintain broadband absorption at incident angles up to 60° Their structural design is notable for its simplicity, limited variety of materials, and compact size. This paper summarizes the ideas and experiences in optimization using the superposition principle and innovatively analyses and investigates the cause of peak attenuation in the case of superposition of multiple absorbers from the perspectives of equivalent circuits and impedance matching, which provides a more precise idea for subsequent researchers to design wave-absorbing materials, and has an essential inspirational value for the optimization research and development of wave-absorbing materials. © 2025

关键词： Dynamic response

Electrically reconfigurable heteronuclear dual-atom catalysts

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Nature Nanotechnology 2025年 1-2页

作者： Ning Han Li-Hua Chen Bao-Lian Su Department of Electrical and Computer Engineering University of Toronto Toronto Ontario Canada State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan China Laboratory of Inorganic Materials Chemistry (CMI) University of Namur Namur Belgium